Multi-scale approximation schemes in electronic structure calculation

MaRDI QIDQ5439434zbMATH OpenFDO

Authors Reinhold Schneider, Toralf Weber

Publication date 11 February 2008

Full work available at URL http://ebooks.worldscinet.com/ISBN/9789812770707/9789812770707_0004.html

zbMATH Keywords

density functional theoryeffective one-particle modelselectronic structure calculationHartree-Fock equationsmultiresolution spacesnumerical experimentsprojection methods for eigenvalue problems of Schrödinger typeself-consistent field approximation

Mathematics Subject Classification ID

Nontrigonometric harmonic analysis involving wavelets and other special systems (42C40) Software, source code, etc. for problems pertaining to quantum theory (81-04) Molecular physics (81V55) Many-body theory; quantum Hall effect (81V70)

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Cited in

(11)

• A cubic scaling algorithm for excited states calculations in particle-particle random phase approximation
• Multiple site self consistent scheme
• Efficient methods for computing integrals in electronic structure calculations
• Efficient multi-scale computation of products of orbitals in electronic structure calculations
• An Adaptive Multiscale Approach for Electronic Structure Methods
• Universal Approximation Capability of Cascade Correlation for Structures
• scientific article; zbMATH DE number 745269 (Why is no real title available?)
• A method for studying electron-density-based dynamics of many-electron systems in scaled cylindrical coordinates
• Convergent and Orthogonality Preserving Schemes for Approximating the Kohn-Sham Orbitals
• Application of multiresolution analyses to electron density maps of small molecules: Critical point representations for molecular superposition
• Numerical analysis of multiple scattering theory for electronic structure calculations

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